2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide

C15H17ClN2O2 — CID 167921792

IUPAC2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide
SMILESCc1onc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1C
InChIInChI=1S/C15H17ClN2O2/c1-9-10(2)20-18-13(9)17-14(19)15(3,4)11-6-5-7-12(16)8-11/h5-8H,1-4H3,(H,17,18,19)
InChIKeyYNZMJLKRCLEUAD-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide

2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide (PubChem CID 167921792) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide
PubChem CID167921792
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide
SMILESCc1onc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1C
InChIInChI=1S/C15H17ClN2O2/c1-9-10(2)20-18-13(9)17-14(19)15(3,4)11-6-5-7-12(16)8-11/h5-8H,1-4H3,(H,17,18,19)
InChIKeyYNZMJLKRCLEUAD-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
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N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
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2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide
CID 167931960
N-(5-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438675
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226257
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
2-(3-chlorophenyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 110437667
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 110437686

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide (CID 167921792) is 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide is Cc1onc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide?
The InChIKey is YNZMJLKRCLEUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-10(2)20-18-13(9)17-14(19)15(3,4)11-6-5-7-12(16)8-11/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide?
2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide has a molecular weight of 292.77 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 167921792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).